A General Framework for Modelling Association Formulated in Terms of Bond Sites

The general association model [1] has been adapted to describe association between bond sites rather than whole molecules. The resulting formulation permits a large range of different association schemes to be incorporated into a single framework. The model allows association strengths to vary for d...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Fluid phase equilibria 2022-10, Vol.561, p.113534, Article 113534
1. Verfasser: Moorwood, Tony
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The general association model [1] has been adapted to describe association between bond sites rather than whole molecules. The resulting formulation permits a large range of different association schemes to be incorporated into a single framework. The model allows association strengths to vary for different sizes of oligomer, but it reduces to a number of special cases, in particular the theory of Wertheim. The formulation is compatible with most equations of state.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2022.113534